about
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond.13 C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes.Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis.Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study.Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework.π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis.How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes† †Electronic supplementary information (ESI) available: Additional figures and DFT-optimized XYZ geometries for all the coLocal energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.Scalable and Highly Diastereo- and Enantioselective Catalytic Diels-Alder Reaction of α,β-Unsaturated Methyl EstersFormation of Agostic Structures Driven by London DispersionCharge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistryLocal Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster FrameworkEffect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition StudyCharge-displacement analysis of the interaction in the ammonia-noble gas complexesWhen the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+)Disentanglement of donation and back-donation effects on experimental observables: a case study of gold-ethyne complexesSelectively measuring π back-donation in gold(I) complexes by NMR spectroscopyAnomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynesAdvances in Charge Displacement AnalysisToward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster TheoryHFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †Chemistry and Quantum Mechanics in 2019: Give Us Insight and NumbersUnveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster MethodFormyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] HydrogenaseDispersion Forces Drive the Formation of Uranium-Alkane AdductsComputational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function ApproachElectronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization ProcessPhysical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster StudyLondon dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition studyUnveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational MethodsThe first microsolvation step for furans: New experiments and benchmarking strategies
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Giovanni Bistoni
@ast
Giovanni Bistoni
@en
Giovanni Bistoni
@es
Giovanni Bistoni
@nl
Giovanni Bistoni
@sl
type
label
Giovanni Bistoni
@ast
Giovanni Bistoni
@en
Giovanni Bistoni
@es
Giovanni Bistoni
@nl
Giovanni Bistoni
@sl
prefLabel
Giovanni Bistoni
@ast
Giovanni Bistoni
@en
Giovanni Bistoni
@es
Giovanni Bistoni
@nl
Giovanni Bistoni
@sl
P106
P21
P31
P496
0000-0003-4849-1323